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Título : High-Level correlated approach to the jellium surface energy, without uniform-electron-gas input
Autor : Constantin, Lucian A.; Pitarke, José María ; Dobson, J. F.; García-Lekue, Aran; Perdew, J. P.
Palabras clave : Electron gas, Fermi gas (condensed matter)
Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
Exchange, correlation, dielectric and magnetic response functions, plasmons
Fecha de publicación : 24-ene-2008
Editor: American Physical Society
Citación : Physical Review Letters 100, 036401 (2008).
Resumen: We resolve the long-standing controversy over the metal surface energy: Density-functional methods that require uniform-electron-gas input agree with each other, but not with high-level correlated calculations such as Fermi hypernetted chain and diffusion Monte Carlo calculations that predict the uniform-gas correlation energy. Here we apply the inhomogeneous Singwi-Tosi-Land-Sjölander method, and find that the density functionals are indeed reliable (because the surface energy is bulklike). Our work also vindicates the use of uniform-gas-based nonlocal kernels in time-dependent density-functional theory.
Descripción : 4 pp.-- PACS nrs.: 71.10.Ca, 71.15.Mb, 71.45.Gm.-- Pre-print available at: http://arxiv.org/abs/0710.5564.
Versión del editor: http://dx.doi.org/10.1103/PhysRevLett.100.036401
URI : http://hdl.handle.net/10261/7310
DOI: 10.1103/PhysRevLett.100.036401
ISSN: 0031-9007
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